Compound Identification
SMILES
COC1=CC(=CC(OC)=C1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](O[C@@H]2O[C@@H]3COC4(CCN(C)CC4)O[C@H]3[C@H](O)[C@H]2O)C2=CC3=C(OCO3)C=C12
InChIKey
InChIKey=YHHHIIKFSANDQV-SCTXGJLHSA-N
Formula
C33H39NO13
Mass
657.669
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lignans, neolignans and related compounds
-
Class
Lignan lactones
- Subclass Podophyllotoxins
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Class
Lignan lactones
-
Superclass
Lignans, neolignans and related compounds
Kingdom
Organic compounds
Superclass
Lignans, neolignans and related compounds
Class
Lignan lactones
Subclass
Podophyllotoxins
Intermediate Tree Nodes
Not available
Direct Parent
Podophyllotoxins
Alternative Parents
Aryltetralin lignans Furanonaphthodioxoles Tetralins Pyranodioxins Azaspirodecane derivatives Dimethoxybenzenes Methoxyphenols Benzodioxoles Anisoles Phenoxy compounds Alkyl aryl ethers Ketals Monosaccharides Piperidines 1,3-dioxanes Gamma butyrolactones Oxanes Oxolanes 1,2-diols Amino acids and derivatives Trialkylamines Secondary alcohols Carboxylic acid esters Azacyclic compounds Monocarboxylic acids and derivatives Oxacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Podophyllotoxin - 1-aryltetralin lignan - Linear furanonaphthodioxole - Naphthofuran - Methoxyphenol - Pyranodioxin - Tetralin - Dimethoxybenzene - M-dimethoxybenzene - Azaspirodecane - Benzodioxole - Methoxybenzene - Anisole - Phenol ether - Phenoxy compound - Alkyl aryl ether - Ketal - Phenol - Gamma butyrolactone - Benzenoid - Monocyclic benzene moiety - Oxane - Monosaccharide - Piperidine - Meta-dioxane - Oxolane - Tertiary aliphatic amine - Carboxylic acid ester - Amino acid or derivatives - 1,2-diol - Lactone - Secondary alcohol - Tertiary amine - Acetal - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Alcohol - Carbonyl group - Organopnictogen compound - Organooxygen compound - Amine - Organonitrogen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as podophyllotoxins. These are tetralin lignans in which the benzene moiety of the tetralin skeleton is fused to a 1,3-dioxolane and the cyclohexane is fused to a butyrolactone (pyrrolidin-2-one).
External Descriptors
Not available